Crystallography Open Database

Information card for entry 7206635

7206634 << 7206635 >> 7206636

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Coordinates	7206635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 Cu2 N6 S4
Calculated formula	C24 H30 Cu2 N6 S4
Title of publication	Three novel cation-templated metal thiocyanates with 1-2D polypseudorotaxane frameworks
Authors of publication	Qiao, Yong-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	22
Pages of publication	6885
a	12.929 ± 0.0012 Å
b	10.5303 ± 0.0009 Å
c	10.7521 ± 0.001 Å
α	90°
β	95.796 ± 0.002°
γ	90°
Cell volume	1456.4 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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